Compound Detail
CHEMBL1015
EVANS BLUE FREE ACID 💊 Approved Drug
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💊 Approved Drug
Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O
Basic Information
| ChEMBL ID | CHEMBL1015 |
| Name | EVANS BLUE FREE ACID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | COXVTLYNGOIATD-HVMBLDELSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
Molecular Properties
872.9
MW (Da)
6.67
ALogP
16
HBA
8
HBD
359.4
PSA (Ų)
0.04
QED
4
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.71 | 5.71 | 1955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1955.0 | nM | 5.71 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine